SCHEMBL3566631

SCHEMBL3566631

COc1cnc2cc(N)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.50
▸ PDPK1 O15530 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ ATM Q13315 2/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30891066 1.00 TLR9 (0.50) TLR9PDPK1HTTNPC1RAB9A
SCHEMBL28035890 0.80 RAB9A (0.56) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL8058635 0.80 ALDH1A1 (0.47) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL622192 0.79 PIK3CA (0.42) TLR9PDPK1HTTNPC1RAB9A
SCHEMBL13208403 0.76 HTT (0.41) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL5341033 0.76 KDM4E (0.55) TLR9HTTNPC1RAB9AALDH1A1
SCHEMBL9427593 0.76 TLR9 (0.54) TLR9HTTNPC1RAB9AALDH1A1
SCHEMBL3364694 0.76 LMNA (0.54) PDPK1HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL4526835 0.75 HTT (0.68) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL3722747 0.75 HTT (0.47) TLR9HTTNPC1RAB9ANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044731-A1 DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2024-02-29 — — WO disclosed
WO-2024044731-A1 DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2024-02-29 — — WO disclosed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 — — US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 — — US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 — — US disclosed
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative ASTELLAS PHARMA INC. (JP) 2005-11-24 — — US disclosed
EP-1557411-A1 N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-27 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative BPHL, QDPR, SRD5A2 TLR9 4880/4885PDPK1 2223/4885HTT 3925/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 TLR9 4867/4885PDPK1 1937/4885HTT 4074/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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